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Journal ArticleDOI

The stoichiometric interaction model for mesoscopic MD simulations of liquid-liquid phase separation.

Yutakacho Murata, +2 more
- 01 Oct 2022 - 
- Vol. 121, Iss: 22, pp 4382-4393
TLDR
In this article , the stoichiometric interaction (SI) potential was proposed to model the valency of the interacting domains of a mixture of SH3 domains and proline-rich motifs.
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This article is published in Biophysical Journal.The article was published on 2022-10-01. It has received 3 citations till now. The article focuses on the topics: Medicine & Valency.

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Citations
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Journal ArticleDOI

Theory and Simulation of Multiphase Coexistence in Biomolecular Mixtures.

TL;DR: A review of recent advances in the prediction and computational design of biomolecular mixtures that phase-separate into many coexisting phases can be found in this article , where the authors describe progress in developing analytical theories and coarse-grained simulation models to predict multiphase condensates with the molecular detail required to make contact with biophysical experiments.
Journal ArticleDOI

Biophysics of biomolecular condensates.

TL;DR: The formation of biomolecular condensates has emerged as a new biophysical principle for subcellular compartmentalization within cells to facilitate the spatiotemporal regulation of a multitude of complex biological reactions as mentioned in this paper .
Posted ContentDOI

Postsynaptic protein assembly in three- and two-dimensions studied by mesoscopic simulations

Risa Yamada, +1 more
- 25 May 2023 - 
TL;DR: In this article , a mesoscopic model of protein-domain interactions in postsynaptic density (PSD) was constructed and comparative molecular simulations were performed to compare the phase behaviors in 3D and 2D systems.
References
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Journal ArticleDOI

Biomolecular condensates: organizers of cellular biochemistry

TL;DR: This work has shown that liquid–liquid phase separation driven by multivalent macromolecular interactions is an important organizing principle for biomolecular condensates and has proposed a physical framework for this organizing principle.
Journal ArticleDOI

Phase transitions in the assembly of multivalent signalling proteins

TL;DR: Interactions between diverse synthetic, multivalent macromolecules (including multi-domain proteins and RNA) produce sharp liquid–liquid-demixing phase separations, generating micrometre-sized liquid droplets in aqueous solution.
Journal ArticleDOI

Cell-free Formation of RNA Granules: Low Complexity Sequence Domains Form Dynamic Fibers within Hydrogels

TL;DR: It is discovered that exposure of cell or tissue lysates to a biotinylated isoxazole (b-isox) chemical precipitated hundreds of RNA-binding proteins with significant overlap to the constituents of RNA granules, offering a framework for understanding the function of LC sequences as well as an organizing principle for cellular structures that are not membrane bound.
Journal ArticleDOI

Intrinsically disordered linkers determine the interplay between phase separation and gelation in multivalent proteins.

TL;DR: In this article, the physical properties of disordered linkers were used to determine the extent to which gelation of linear multivalent proteins is driven by phase separation, which is the biologically preferred mechanism for forming membraneless bodies.
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What are some of the most common non-bonded interactions that are modeled in MD simulations?

The most common non-bonded interactions modeled in MD simulations are specific interactions and nonspecific interactions.